General Information of the Compound
| Compound ID |
CP0417818
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| Compound Name |
3-O-ethyl 5-O-methyl 2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylpyridine-3,5-dicarboxylate
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| Structure |
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| Formula |
C22H33N3O5
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| Molecular Weight |
419.522
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| Canonical SMILES |
CCOC(=O)c1cc(C(=O)OC)c(C)nc1N1CCC(CC1)NC1CCCCC1O
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| InChI |
InChI=1S/C22H33N3O5/c1-4-30-22(28)17-13-16(21(27)29-3)14(2)23-20(17)25-11-9-15(10-12-25)24-18-7-5-6-8-19(18)26/h13,15,18-19,24,26H,4-12H2,1-3H3
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| InChIKey |
GKUYUHNWUPCTPR-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor